3-[5-methyl-3-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-methyl-3-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-methyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-methyl-3-oxo-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-methyl-3-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[5-keto-4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C14H13N3O2 MolecularWeight: 255.27192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC#N)C=C2C=CC(=O)C=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC#N)C=C2C=CC(=O)C=C2

InChI

InChI=1S/C14H13N3O2/c1-10-13(9-11-3-5-12(18)6-4-11)14(19)17(16-10)8-2-7-15/h3-6,9,16H,2,8H2,1H3